CompoundList
Sign in
Cationic surfactants

Saint-2

Also known as SAINT C-18 (solution in chloroform), N-methyl-4(dioleyl)methylpyridiniumchloride

CAS 187587-97-9Formula C43H78ClNMolar mass 644.56 g/mol
Get quotes Safety data
Saint-2 chemical structure, C43H78ClN, CAS 187587-97-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
187587-97-9
Formula
C43H78ClN
Molar mass
644.56 g/mol
HS code
293339
Category
Cationic surfactants

What is Saint-2?

Plain description, key identifiers and synonyms

Saint-2 is a chemical substance with the molecular formula C43H78ClN and a molar mass of 644.56 g/mol. Its CAS registry number is 187587-97-9. The IUPAC name is 4-[(9Z,28Z)-heptatriaconta-9,28-dien-19-yl]-1-methylpyridin-1-ium chloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(9Z,28Z)-heptatriaconta-9,28-dien-19-yl]-1-methylpyridin-1-ium chloride
CAS number
187587-97-9
Molecular formula
C43H78ClN
InChIKey
FQKXELHZMFODBN-YIQDKWKASA-M
InChI
InChI=1S/C43H78N.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42(43-38-40-44(3)41-39-43)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h18-21,38-42H,4-17,22-37H2,1-3H3;1H/q+1;/p-1/b20-18-,21-19-;
Canonical SMILES
CCCCCCCCC=CCCCCCCCCC(CCCCCCCCC=CCCCCCCCC)c1cc[n+](C)cc1.[Cl-]
Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCCC(C1=CC=[N+](C=C1)C)CCCCCCCC/C=C\CCCCCCCC.[Cl-]

Synonyms

  • SAINT C-18 (solution in chloroform)
  • N-methyl-4(dioleyl)methylpyridiniumchloride

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
644.56 g/molcalc.
Exact mass
643.5823 Dacalc.
LogP (octanol/water)
11.45calc.
Topological polar surface area
3.88 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
33calc.
Heavy atoms
45calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.79calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccncc1

c1ccncc1

1 ring, 6 atoms, the Pyridine ring system.

118,162 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Saint-2 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Saint-2 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Saint-2 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Industries and functions

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Saint-2 is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Saint-2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Saint-2, based on the data on this page

What is Saint-2?

Saint-2 is a chemical substance with the molecular formula C43H78ClN and a molar mass of 644.56 g/mol. Its CAS registry number is 187587-97-9. The IUPAC name is 4-[(9Z,28Z)-heptatriaconta-9,28-dien-19-yl]-1-methylpyridin-1-ium chloride.

What is the CAS number of Saint-2?

The CAS registry number of Saint-2 is 187587-97-9.

What is the molecular formula and weight of Saint-2?

The molecular formula of Saint-2 is C43H78ClN and its molar mass is 644.56 g/mol.

What is Saint-2 used for?

Known uses and roles of Saint-2 include surfactants in home care and cleaning.

Is Saint-2 hazardous?

No GHS hazard classification for Saint-2 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Saint-2?

Saint-2 is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Saint-2?

Post a free request on CompoundList and suppliers of Saint-2 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Saint-2?

Suppliers quote Saint-2 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Saint-2

Get quotes for Saint-2

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Saint-2
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Saint-2 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/saint-2-187587-97-9" title="Saint-2 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Cationic surfactants or HS code 293339

Price on request
Free quotes, contact stays private
Get quotes